7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one

C21H12Cl2O3 — CID 73352574

IUPAC7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)oc2cc(Cl)ccc12
InChIInChI=1S/C21H12Cl2O3/c22-14-3-8-17(9-4-14)25-16-6-1-13(2-7-16)20-12-19(24)18-10-5-15(23)11-21(18)26-20/h1-12H
InChIKeyUETHEPHMFIAYMY-UHFFFAOYSA-N
MW383.23 g/mol
LogP6.56
Rot. Bonds3

About 7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one

7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one (PubChem CID 73352574) has the molecular formula C21H12Cl2O3 and a molecular weight of 383.23 g/mol. Its IUPAC name is 7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one
PubChem CID73352574
Molecular FormulaC21H12Cl2O3
Molecular Weight383.23 g/mol
Exact Mass382.02
IUPAC Name7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)oc2cc(Cl)ccc12
InChIInChI=1S/C21H12Cl2O3/c22-14-3-8-17(9-4-14)25-16-6-1-13(2-7-16)20-12-19(24)18-10-5-15(23)11-21(18)26-20/h1-12H
InChIKeyUETHEPHMFIAYMY-UHFFFAOYSA-N
XLogP6.56
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one
CID 73352575
7-(3-bromopropoxy)-2-(4-chlorophenyl)chromen-4-one
CID 53324174
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one
CID 2740106
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
3-(7-chloro-4-oxochromen-2-yl)benzoic acid
CID 82043724
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
6,8-dichloro-2-(4-chlorophenyl)chromen-4-one
CID 688877
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one?
The IUPAC name of 7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one (CID 73352574) is 7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one.
What is the SMILES notation for 7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one?
The canonical SMILES for 7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one is O=c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)oc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one?
The InChIKey is UETHEPHMFIAYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2O3/c22-14-3-8-17(9-4-14)25-16-6-1-13(2-7-16)20-12-19(24)18-10-5-15(23)11-21(18)26-20/h1-12H.
What are the key properties of 7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one?
7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one has a molecular weight of 383.23 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[4-(4-chlorophenoxy)phenyl]chromen-4-one is sourced from PubChem (CID 73352574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).